SMILES:
Nc1nc(-c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2)cs1Molecular Processing
Molecular formula
C25H26N4S
Molecular weight
414.58
Exact mass
414.1878
XLogP
4.91
TPSA
45.39
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.24
Molar refractivity
128.27
Supplementary Information
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